6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C11H10Cl2O2 — CID 82027298

IUPAC6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CCCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl2O2/c12-9-4-6-2-1-3-7(11(14)15)8(6)5-10(9)13/h4-5,7H,1-3H2,(H,14,15)
InChIKeyVTFVNCZEQFBIFU-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.50
Rot. Bonds1

About 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 82027298) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID82027298
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CCCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl2O2/c12-9-4-6-2-1-3-7(11(14)15)8(6)5-10(9)13/h4-5,7H,1-3H2,(H,14,15)
InChIKeyVTFVNCZEQFBIFU-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 22902102
(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 129391781
6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 82027305
2-chloro-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxylic acid
CID 83910063
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
3-chloro-2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid
CID 22769016
4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 175973526
6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide
CID 54463297
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
5,7-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71239467

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 82027298) is 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is O=C(O)C1CCCc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is VTFVNCZEQFBIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c12-9-4-6-2-1-3-7(11(14)15)8(6)5-10(9)13/h4-5,7H,1-3H2,(H,14,15).
What are the key properties of 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 245.10 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 82027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).